# generated using pymatgen data_Zr4Nb5Re3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49341359 _cell_length_b 5.46903034 _cell_length_c 8.88916836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.14758733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb5Re3 _chemical_formula_sum 'Zr4 Nb5 Re3' _cell_volume 230.93863438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.33225170 0.66450339 0.06729937 1.0 Zr Zr1 1 0.66624841 0.33249581 0.55688918 1.0 Zr Zr2 1 0.66624841 0.33249581 0.94311082 1.0 Zr Zr3 1 0.33225170 0.66450339 0.43270063 1.0 Nb Nb4 1 0.00641088 0.01282176 0.00391414 1.0 Nb Nb5 1 0.00641088 0.01282176 0.49608586 1.0 Nb Nb6 1 0.82875901 0.65751802 0.25000000 1.0 Nb Nb7 1 0.16912962 0.82661828 0.75000000 1.0 Nb Nb8 1 0.65748966 0.82661828 0.75000000 1.0 Re Re9 1 0.34200850 0.16692955 0.25000000 1.0 Re Re10 1 0.82492105 0.16692955 0.25000000 1.0 Re Re11 1 0.16787119 0.33574138 0.75000000 1.0